3-phenylpropyl-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]carbamic acid

Systemtic Name: 3-phenylpropyl-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]carbamic acid Openeye Name: 3-phenylpropyl-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]carbamic acid CAS Name: [oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]-(3-phenylpropyl)carbamic acid IUPAC Name: 3-phenylpropyl-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]carbamic acid Traditional Name: 3-phenylpropyl-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]carbamic acid Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C(=O)NC2=NNC(=S)S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C(=O)NC2=NNC(=S)S2)C(=O)O

InChI

InChI=1S/C13H14N4O3S2/c18-11(14-10-15-16-12(21)22-10)17(13(19)20)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,21)(H,19,20)(H,14,15,18)